#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:04:57 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179466 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/63/4336355.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4336355
loop_
_publ_author_name
'Jia Li'
'Bao Li'
'Peng Huang'
'Hai-Yan Shi'
'Rong-Bin Huang'
'Lan-Sun Zheng'
'Jun Tao'
_publ_contact_author_address
;
Department of Chemistry
Xiamen University
Xiamen 361005
P. R. China
;
_publ_contact_author_email       taojun@xmu.edu.cn
_publ_contact_author_name        'Prof. Jun Tao'
_publ_contact_author_phone       86-592-2188138
_publ_section_title
;
 Four Coordination Polymers Based on Identical Eight-Connected
 Heptanuclear Clusters: Spin Canting, Spin Glass, Antiferromagnetism, and
 Gas Adsorption
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11573
_journal_page_last               11579
_journal_paper_doi               10.1021/ic401912k
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C66 H40 Co7 N4 O28'
_chemical_formula_weight         1749.53
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 103.322(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.7453(8)
_cell_length_b                   13.1307(5)
_cell_length_c                   20.5544(11)
_cell_measurement_temperature    173(2)
_cell_volume                     3609.9(3)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies.'
_computing_data_collection       'CrysAlisPro, Agilent Technologies.'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies.'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.847
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_av_unetI/netI     0.0565
_diffrn_reflns_Laue_measured_fraction_full 0.847
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17354
_diffrn_reflns_point_group_measured_fraction_full 0.847
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         23.816
_diffrn_reflns_theta_min         3.361
_exptl_absorpt_coefficient_mu    1.653
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_F_000             1754
_refine_diff_density_max         1.648
_refine_diff_density_min         -1.500
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         5546
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.1112
_refine_ls_R_factor_gt           0.0896
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0383P)²+45.2832P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1891
_refine_ls_wR_factor_ref         0.1996
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4115
_reflns_number_total             5546
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic401912k_si_002_4.cif
_cod_data_source_block           3
_cod_database_code               4336355
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.2500 0.33998(12) 0.7500 0.0526(3) Uani 1 2 d S TU P . .
Co2 Co 0.41572(12) 0.41274(8) 0.65300(7) 0.0526(3) Uani 1 1 d . U . . .
Co3 Co 0.34548(12) 0.59789(8) 0.72515(7) 0.0526(3) Uani 1 1 d . U . . .
Co4 Co 0.18944(12) 0.74455(9) 0.63638(7) 0.0546(5) Uani 1 1 d . . . . .
O1 O 0.3376(5) 0.7550(4) 0.7051(3) 0.0499(19) Uani 1 1 d . . . . .
O2 O 0.3780(6) 0.8341(4) 0.8031(3) 0.058(2) Uani 1 1 d . . . . .
O4 O 0.3264(15) 1.2143(8) 0.7222(12) 0.0526(3) Uani 0.63(4) 1 d . U P A 1
O3 O 0.4577(6) 1.2694(4) 0.6861(4) 0.061(2) Uani 1 1 d . . . . .
C1 C 0.5806(6) 0.8649(4) 0.5526(4) 0.097(6) Uani 1 1 d G . . . .
H1 H 0.5371 0.8117 0.5592 0.117 Uiso 1 1 calc R U . . .
C2 C 0.6462(7) 0.8495(5) 0.5112(4) 0.103(6) Uani 1 1 d G . . . .
H2 H 0.6475 0.7858 0.4895 0.123 Uiso 1 1 calc R U . . .
C3 C 0.7098(6) 0.9274(6) 0.5014(4) 0.068(3) Uani 1 1 d G . . . .
H3 H 0.7547 0.9169 0.4731 0.081 Uiso 1 1 calc R U . . .
C4 C 0.7080(6) 1.0206(5) 0.5331(4) 0.088(5) Uani 1 1 d G . . . .
H4 H 0.7515 1.0739 0.5265 0.106 Uiso 1 1 calc R U . . .
C5 C 0.6424(6) 1.0360(4) 0.5746(4) 0.074(4) Uani 1 1 d G . . . .
H5 H 0.6411 1.0997 0.5962 0.089 Uiso 1 1 calc R U . . .
C6 C 0.5787(5) 0.9582(4) 0.5843(4) 0.046(3) Uani 1 1 d G . . . .
C7 C 0.4328(6) 1.0936(5) 0.6937(4) 0.028(2) Uani 1 1 d . . . . .
C8 C 0.4902(7) 1.0733(6) 0.6481(4) 0.036(2) Uani 1 1 d . . . . .
H8 H 0.5157 1.1287 0.6273 0.043 Uiso 1 1 calc R U . . .
C9 C 0.5116(7) 0.9753(6) 0.6318(4) 0.038(2) Uani 1 1 d . . . . .
C10 C 0.4704(7) 0.8956(6) 0.6616(4) 0.041(2) Uani 1 1 d . . . . .
H10 H 0.4802 0.8272 0.6493 0.049 Uiso 1 1 calc R U . . .
C11 C 0.4150(7) 0.9153(6) 0.7090(4) 0.032(2) Uani 1 1 d . . . . .
C12 C 0.3959(5) 1.0142(6) 0.7252(4) 0.0210(17) Uani 1 1 d . . . . .
H12 H 0.3580 1.0276 0.7575 0.025 Uiso 1 1 calc R U . . .
C13 C 0.3735(8) 0.8285(6) 0.7418(5) 0.041(2) Uani 1 1 d . . . . .
C14 C 0.4080(7) 1.2017(6) 0.7057(5) 0.039(2) Uani 1 1 d . . . . .
O8 O 0.2711(7) 0.6910(5) 0.5683(4) 0.067(2) Uani 1 1 d . . . . .
O7 O 0.3738(5) 0.5746(4) 0.6283(3) 0.0526(3) Uani 1 1 d . U . . .
N2 N 0.5106(8) 0.6163(5) 0.4261(5) 0.061(3) Uani 1 1 d . . . . .
C15 C 0.3436(9) 0.6310(7) 0.5786(6) 0.058(3) Uani 1 1 d . . . . .
C16 C 0.4037(10) 0.6303(6) 0.5252(6) 0.059(4) Uani 1 1 d . . . . .
C17 C 0.5060(10) 0.6156(7) 0.5420(6) 0.060(3) Uani 1 1 d . . . . .
H17 H 0.5405 0.6096 0.5875 0.072 Uiso 1 1 calc R U . . .
C18 C 0.5580(9) 0.6097(7) 0.4915(6) 0.060(3) Uani 1 1 d . . . . .
H18 H 0.6285 0.6009 0.5032 0.071 Uiso 1 1 calc R U . . .
C19 C 0.3564(10) 0.6427(7) 0.4585(6) 0.061(3) Uani 1 1 d . . . . .
H19 H 0.2869 0.6574 0.4458 0.073 Uiso 1 1 calc R U . . .
C20 C 0.4123(10) 0.6334(7) 0.4106(6) 0.059(3) Uani 1 1 d . . . . .
H20 H 0.3792 0.6393 0.3648 0.071 Uiso 1 1 calc R U . . .
C21 C 0.0628(15) 0.7175(17) 0.5015(8) 0.141(8) Uani 1 1 d . . . . .
H21 H 0.1237 0.7385 0.4912 0.169 Uiso 1 1 calc R U . . .
C22 C -0.0301(11) 0.6915(9) 0.5761(6) 0.067(4) Uani 1 1 d . . . . .
H22 H -0.0355 0.6904 0.6214 0.081 Uiso 1 1 calc R U . . .
C23 C -0.1139(11) 0.6697(10) 0.5282(7) 0.075(4) Uani 1 1 d . . . . .
H23 H -0.1751 0.6564 0.5406 0.090 Uiso 1 1 calc R U . . .
C24 C -0.1105(9) 0.6670(8) 0.4630(6) 0.060(3) Uani 1 1 d . . . . .
C25 C -0.0158(14) 0.6923(17) 0.4509(8) 0.147(9) Uani 1 1 d . . . . .
H25 H -0.0073 0.6916 0.4063 0.177 Uiso 1 1 calc R U . . .
C26 C -0.1972(9) 0.6448(8) 0.4049(6) 0.056(3) Uani 1 1 d . . . . .
O9 O -0.1793(12) 0.6751(16) 0.3472(8) 0.0526(3) Uani 0.480(12) 1 d . U P B 1
O10 O -0.2805(6) 0.6277(5) 0.4152(4) 0.061(2) Uani 1 1 d . . . . .
O6 O 0.4962(6) 0.6112(5) 0.7598(4) 0.061(2) Uani 1 1 d . . . . .
O5 O 0.5526(6) 0.4778(4) 0.7104(4) 0.064(2) Uani 1 1 d . . . . .
C27 C 0.5626(9) 0.5633(7) 0.7388(5) 0.052(3) Uani 1 1 d . . . . .
C28 C 0.7500 0.5645(10) 0.7500 0.057(4) Uani 1 2 d S T P . .
H28 H 0.7500 0.4921 0.7500 0.068 Uiso 1 2 calc R U P . .
C29 C 0.6627(9) 0.6159(7) 0.7473(5) 0.055(3) Uani 1 1 d . . . . .
C30 C 0.7500 1.1045(16) 0.7500 0.152(16) Uani 1 2 d S T P . .
H30 H 0.7500 1.1768 0.7500 0.182 Uiso 1 2 calc R U P . .
C31 C 0.6638(9) 0.7221(8) 0.7489(6) 0.061(3) Uani 1 1 d . . . . .
H31 H 0.6037 0.7575 0.7493 0.073 Uiso 1 1 calc R U . . .
C32 C 0.7500 0.7779(11) 0.7500 0.062(4) Uani 1 2 d S T P . .
C33 C 0.7500 0.8911(11) 0.7500 0.084(7) Uani 1 2 d S T P . .
C34 C 0.6871(11) 0.9456(9) 0.7828(8) 0.102(6) Uani 1 1 d . . . . .
H34 H 0.6450 0.9092 0.8054 0.122 Uiso 1 1 calc R U . . .
C35 C 0.6854(13) 1.0505(10) 0.7828(10) 0.132(9) Uani 1 1 d . . . . .
H35 H 0.6417 1.0862 0.8044 0.159 Uiso 1 1 calc R U . . .
O11 O 0.3567(5) 0.4409(4) 0.7337(3) 0.0526(3) Uani 1 1 d . U . . .
O12 O 0.1918(5) 0.6091(4) 0.6838(3) 0.0526(3) Uani 1 1 d . U . . .
O1W O 0.2109(7) 0.8879(5) 0.5926(4) 0.070(2) Uani 1 1 d . . . . .
N1 N 0.0568(8) 0.7135(7) 0.5647(4) 0.065(3) Uani 1 1 d . . . . .
O9A O -0.193(9) 0.722(8) 0.348(6) 0.0526(3) Uani 0.063(17) 1 d . . . B 2
O9AA O -0.1747(11) 0.6198(12) 0.3513(7) 0.0526(3) Uani 0.520(12) 1 d . . P B 2
O4A O 0.358(3) 1.2225(14) 0.752(2) 0.0526(3) Uani 0.37(4) 1 d . . P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O9 Co1 O9 168.8(12) 3_566 4_666
O9 Co1 O11 91.5(6) 3_566 2_556
O9 Co1 O11 95.7(5) 4_666 2_556
O9 Co1 O11 95.7(5) 3_566 .
O9 Co1 O11 91.5(6) 4_666 .
O11 Co1 O11 100.0(3) 2_556 .
O9 Co1 O4 92.0(9) 3_566 2_546
O9 Co1 O4 79.1(9) 4_666 2_546
O11 Co1 O4 92.4(4) 2_556 2_546
O11 Co1 O4 165.2(6) . 2_546
O9 Co1 O4 79.1(9) 3_566 1_545
O9 Co1 O4 92.0(9) 4_666 1_545
O11 Co1 O4 165.2(7) 2_556 1_545
O11 Co1 O4 92.4(4) . 1_545
O4 Co1 O4 76.7(6) 2_546 1_545
O11 Co1 O4A 87.3(6) 2_556 2_546
O11 Co1 O4A 168.2(8) . 2_546
O11 Co1 O4A 168.2(8) 2_556 1_545
O11 Co1 O4A 87.3(6) . 1_545
O4A Co1 O4A 87.2(14) 2_546 1_545
O11 Co1 O9A 106(3) 2_556 3_566
O11 Co1 O9A 102(2) . 3_566
O4A Co1 O9A 67(3) 2_546 3_566
O4A Co1 O9A 81(4) 1_545 3_566
O11 Co1 O9A 102(2) 2_556 4_666
O11 Co1 O9A 106(3) . 4_666
O4A Co1 O9A 81(4) 2_546 4_666
O4A Co1 O9A 67(3) 1_545 4_666
O9A Co1 O9A 135(6) 3_566 4_666
O11 Co1 O9AA 83.5(4) 2_556 4_666
O11 Co1 O9AA 78.4(4) . 4_666
O4A Co1 O9AA 111.9(12) 2_546 4_666
O4A Co1 O9AA 88.8(13) 1_545 4_666
O9A Co1 O9AA 170(3) 3_566 4_666
O9A Co1 O9AA 37(3) 4_666 4_666
O11 Co1 O9AA 78.4(4) 2_556 3_566
O11 Co1 O9AA 83.5(4) . 3_566
O4A Co1 O9AA 88.8(13) 2_546 3_566
O4A Co1 O9AA 111.9(12) 1_545 3_566
O9A Co1 O9AA 37(3) 3_566 3_566
O9A Co1 O9AA 170(3) 4_666 3_566
O9AA Co1 O9AA 151.8(8) 4_666 3_566
O3 Co2 O11 91.8(2) 1_545 .
O3 Co2 O10 97.3(3) 1_545 3_566
O11 Co2 O10 97.5(3) . 3_566
O3 Co2 N2 86.6(3) 1_545 3_666
O11 Co2 N2 175.3(4) . 3_666
O10 Co2 N2 87.1(4) 3_566 3_666
O3 Co2 O5 92.2(3) 1_545 .
O11 Co2 O5 86.8(3) . .
O10 Co2 O5 169.4(3) 3_566 .
N2 Co2 O5 88.9(3) 3_666 .
O3 Co2 O7 173.8(3) 1_545 .
O11 Co2 O7 83.2(2) . .
O10 Co2 O7 87.0(3) 3_566 .
N2 Co2 O7 98.1(3) 3_666 .
O5 Co2 O7 83.9(3) . .
O6 Co3 O12 97.1(3) . 2_556
O6 Co3 O11 90.3(3) . .
O12 Co3 O11 91.4(2) 2_556 .
O6 Co3 O12 170.4(2) . .
O12 Co3 O12 85.6(3) 2_556 .
O11 Co3 O12 98.8(3) . .
O6 Co3 O1 89.2(3) . .
O12 Co3 O1 95.5(2) 2_556 .
O11 Co3 O1 173.1(2) . .
O12 Co3 O1 81.4(3) . .
O6 Co3 O7 87.1(3) . .
O12 Co3 O7 174.4(3) 2_556 .
O11 Co3 O7 84.8(2) . .
O12 Co3 O7 90.9(3) . .
O1 Co3 O7 88.3(2) . .
O12 Co4 O2 99.7(2) . 2_556
O12 Co4 N1 94.7(3) . .
O2 Co4 N1 95.4(3) 2_556 .
O12 Co4 O8 94.3(2) . .
O2 Co4 O8 165.0(2) 2_556 .
N1 Co4 O8 88.8(3) . .
O12 Co4 O1W 171.3(3) . .
O2 Co4 O1W 82.9(2) 2_556 .
N1 Co4 O1W 93.3(3) . .
O8 Co4 O1W 82.4(2) . .
O12 Co4 O1 80.5(3) . .
O2 Co4 O1 93.2(3) 2_556 .
N1 Co4 O1 170.8(3) . .
O8 Co4 O1 83.7(3) . .
O1W Co4 O1 91.1(3) . .
C13 O1 Co3 129.9(6) . .
C13 O1 Co4 127.8(6) . .
Co3 O1 Co4 93.6(2) . .
C13 O2 Co4 130.1(6) . 2_556
C14 O4 Co1 135.2(10) . 1_565
C14 O3 Co2 129.3(6) . 1_565
C2 C1 C6 120.0 . .
C1 C2 C3 120.0 . .
C4 C3 C2 120.0 . .
C3 C4 C5 120.0 . .
C6 C5 C4 120.0 . .
C5 C6 C1 120.0 . .
C5 C6 C9 118.9(5) . .
C1 C6 C9 121.1(5) . .
C12 C7 C8 120.0(7) . .
C12 C7 C14 121.2(6) . .
C8 C7 C14 118.8(7) . .
C9 C8 C7 122.0(7) . .
C8 C9 C10 117.6(7) . .
C8 C9 C6 119.6(7) . .
C10 C9 C6 122.8(7) . .
C11 C10 C9 120.6(8) . .
C12 C11 C10 120.6(7) . .
C12 C11 C13 119.6(7) . .
C10 C11 C13 119.9(7) . .
C11 C12 C7 119.1(7) . .
O2 C13 O1 125.0(7) . .
O2 C13 C11 118.2(8) . .
O1 C13 C11 116.8(7) . .
O3 C14 O4 125.8(9) . .
O3 C14 O4A 120.1(12) . .
O3 C14 C7 117.6(7) . .
O4 C14 C7 115.0(8) . .
O4A C14 C7 119.3(9) . .
C15 O8 Co4 128.7(7) . .
C15 O7 Co3 125.3(5) . .
C15 O7 Co2 140.2(6) . .
Co3 O7 Co2 91.0(2) . .
C20 N2 C18 118.5(8) . .
C20 N2 Co2 118.6(8) . 3_666
C18 N2 Co2 122.6(8) . 3_666
O8 C15 O7 127.7(8) . .
O8 C15 C16 115.3(10) . .
O7 C15 C16 116.9(10) . .
C17 C16 C19 118.8(9) . .
C17 C16 C15 120.9(11) . .
C19 C16 C15 120.3(12) . .
C16 C17 C18 119.3(12) . .
N2 C18 C17 121.6(12) . .
C16 C19 C20 118.8(12) . .
N2 C20 C19 122.8(12) . .
N1 C21 C25 121.7(14) . .
N1 C22 C23 125.1(11) . .
C24 C23 C22 120.4(11) . .
C23 C24 C25 114.2(13) . .
C23 C24 C26 126.1(11) . .
C25 C24 C26 119.7(10) . .
C21 C25 C24 121.5(13) . .
O10 C26 O9AA 122.0(13) . .
O10 C26 O9 125.4(13) . .
O10 C26 C24 119.7(9) . .
O9AA C26 C24 115.8(11) . .
O9 C26 C24 112.0(11) . .
O10 C26 O9A 116(5) . .
O9AA C26 O9A 57(4) . .
C24 C26 O9A 108(5) . .
C26 O9 Co1 135.1(12) . 3_566
C26 O10 Co2 129.8(7) . 3_566
C27 O6 Co3 126.5(7) . .
C27 O5 Co2 126.6(8) . .
O5 C27 O6 126.3(10) . .
O5 C27 C29 117.3(8) . .
O6 C27 C29 116.4(8) . .
C29 C28 C29 120.8(13) 2_656 .
C28 C29 C31 119.2(11) . .
C28 C29 C27 123.1(9) . .
C31 C29 C27 117.6(10) . .
C35 C30 C35 120(2) 2_656 .
C32 C31 C29 122.1(11) . .
C31 C32 C31 116.4(14) 2_656 .
C31 C32 C33 121.8(7) 2_656 .
C31 C32 C33 121.8(7) . .
C34 C33 C34 118.9(17) . 2_656
C34 C33 C32 120.5(8) . .
C34 C33 C32 120.5(8) 2_656 .
C35 C34 C33 121.3(19) . .
C34 C35 C30 119(2) . .
Co2 O11 Co1 116.6(3) . .
Co2 O11 Co3 98.5(2) . .
Co1 O11 Co3 127.7(3) . .
Co4 O12 Co3 121.4(3) . 2_556
Co4 O12 Co3 99.2(3) . .
Co3 O12 Co3 93.8(3) 2_556 .
C22 N1 C21 116.9(13) . .
C22 N1 Co4 126.9(8) . .
C21 N1 Co4 116.1(10) . .
O9AA O9A C26 50(4) . .
O9AA O9A Co1 72(5) . 3_566
C26 O9A Co1 113(6) . 3_566
C26 O9AA O9A 73(4) . .
C26 O9AA Co1 128.3(11) . 3_566
O9A O9AA Co1 70(5) . 3_566
C14 O4A Co1 127(2) . 1_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O9 2.020(17) 3_566
Co1 O9 2.020(17) 4_666
Co1 O11 2.061(6) 2_556
Co1 O11 2.061(6) .
Co1 O4 2.104(10) 2_546
Co1 O4 2.104(10) 1_545
Co1 O4A 2.13(2) 2_546
Co1 O4A 2.13(2) 1_545
Co1 O9A 2.14(12) 3_566
Co1 O9A 2.14(12) 4_666
Co1 O9AA 2.166(15) 4_666
Co1 O9AA 2.166(15) 3_566
Co2 O3 2.039(7) 1_545
Co2 O11 2.040(5) .
Co2 O10 2.122(8) 3_566
Co2 N2 2.139(7) 3_666
Co2 O5 2.154(8) .
Co2 O7 2.229(6) .
Co3 O6 2.037(8) .
Co3 O12 2.055(5) 2_556
Co3 O11 2.072(5) .
Co3 O12 2.092(8) .
Co3 O1 2.101(6) .
Co3 O7 2.136(6) .
Co4 O12 2.025(6) .
Co4 O2 2.079(6) 2_556
Co4 N1 2.103(11) .
Co4 O8 2.106(6) .
Co4 O1W 2.136(6) .
Co4 O1 2.199(8) .
O1 C13 1.255(11) .
O2 C13 1.249(10) .
O2 Co4 2.079(6) 2_556
O4 C14 1.256(14) .
O4 Co1 2.104(10) 1_565
O3 C14 1.243(10) .
O3 Co2 2.039(7) 1_565
C1 C2 1.3900 .
C1 C6 1.3900 .
C2 C3 1.3900 .
C3 C4 1.3900 .
C4 C5 1.3900 .
C5 C6 1.3900 .
C6 C9 1.507(9) .
C7 C12 1.383(10) .
C7 C8 1.384(10) .
C7 C14 1.494(11) .
C8 C9 1.378(11) .
C9 C10 1.397(11) .
C10 C11 1.393(11) .
C11 C12 1.380(11) .
C11 C13 1.502(11) .
C14 O4A 1.33(2) .
O8 C15 1.249(14) .
O7 C15 1.254(13) .
N2 C20 1.333(15) .
N2 C18 1.355(15) .
N2 Co2 2.139(7) 3_666
C15 C16 1.518(12) .
C16 C17 1.382(17) .
C16 C19 1.385(17) .
C17 C18 1.390(12) .
C19 C20 1.388(13) .
C21 N1 1.322(16) .
C21 C25 1.36(2) .
C22 N1 1.301(14) .
C22 C23 1.363(17) .
C23 C24 1.351(15) .
C24 C25 1.420(18) .
C24 C26 1.509(17) .
C26 O10 1.231(12) .
C26 O9AA 1.255(14) .
C26 O9 1.327(16) .
C26 O9A 1.57(10) .
O9 Co1 2.019(17) 3_566
O10 Co2 2.122(8) 3_566
O6 C27 1.263(11) .
O5 C27 1.259(10) .
C27 C29 1.513(15) .
C28 C29 1.366(12) 2_656
C28 C29 1.366(12) .
C29 C31 1.396(13) .
C30 C35 1.42(2) 2_656
C30 C35 1.42(2) .
C31 C32 1.388(13) .
C32 C31 1.388(13) 2_656
C32 C33 1.49(2) .
C33 C34 1.408(16) .
C33 C34 1.408(17) 2_656
C34 C35 1.378(17) .
O12 Co3 2.055(5) 2_556
O9A O9AA 1.37(11) .
O9A Co1 2.14(12) 3_566
O9AA Co1 2.166(15) 3_566
O4A Co1 2.13(2) 1_565
